Crystallography Open Database

Information card for entry 1558505

Preview

Coordinates	1558505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H13 N O3
Calculated formula	C11 H13 N O3
SMILES	O=C(N[C@@H](c1ccccc1)CC(=O)O)C
Title of publication	Proversilins A-E, Drimane-Type Sesquiterpenoids from the Endophytic <i>Aspergillus versicolor</i>.
Authors of publication	Li, Huaqiang; Zhang, Runge; Cao, Fei; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui
Journal of publication	Journal of natural products
Year of publication	2020
Journal volume	83
Journal issue	7
Pages of publication	2200 - 2206
a	5.42071 ± 0.0001 Å
b	12.6801 ± 0.0003 Å
c	14.9194 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1025.49 ± 0.04 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
254775 (current)	2020-08-04	cif/ Updating files of 1558504, 1558505, 1558506 Original log message: Adding full bibliography for 1558504--1558506.cif.	1558505.cif
254031	2020-07-07	cif/ Adding structures of 1558505 via cif-deposit CGI script.	1558505.cif